| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 27 | Yes |
Popular Name: N-cyclohexyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide N-cyclohexyl-4-[(2-oxo-3,5-dihyd…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.09 | 8.13 | -18.53 | 2 | 7 | 0 | 83 | 370.453 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.93 | 8.45 | -45.05 | 3 | 7 | 1 | 82 | 371.461 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A-1-E | Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 72 | 0.37 | Binding ≤ 10μM |
| PDE3B-1-E | Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 72 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 72 | 0.37 | Binding ≤ 1μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 72 | 0.37 | Binding ≤ 1μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 72 | 0.37 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 72 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects | |
| G alpha (s) signalling events | |
| PDE3B signalling |
